SCHEMBL5801482

SCHEMBL5801482

CCC(CC)c1cccc(N(C)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TACR1 P25103 2/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 2/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
AOC3 Q16853 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
POLB P06746 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
MEN1 O00255 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11317482 0.86 HDAC4 (0.50) CRHBPCRHR2TACR1KMT2ATSHR
SCHEMBL11304849 0.83 AOC3 (0.35) CRHBPCRHR2TACR1KMT2AL3MBTL1
SCHEMBL3937417 0.81 RXRA (0.46) CRHBPCRHR2TACR1KMT2AALDH1A1
SCHEMBL5070892 0.80 ACHE (0.46) CRHBPCRHR2TACR1TSHRALDH1A1
SCHEMBL9623343 0.80 HDAC4 (0.38) CRHBPCRHR2ALDH1A1HDAC8LMNA
SCHEMBL11186048 0.79 KMT2A (0.37) CRHBPCRHR2TACR1KMT2AL3MBTL1
SCHEMBL3629562 0.79 ACHE (0.51) KMT2AALDH1A1MEN1
SCHEMBL13951835 0.73 ANPEP (0.57) KMT2AALDH1A1LMNA
SCHEMBL20032063 0.72 KCNA5 (0.43) KMT2AALDH1A1HDAC8HDAC6LMNA
SCHEMBL30656282 0.72 LMNA (0.42) CCR5HDAC8HDAC6LMNAHDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060157667-A1 Method and compositions for controlling release of organic compositions BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2006-07-20 US disclosed
WO-2006074261-A2 METHOD AND COMPOSITIONS FOR CONTROLLING RELEASE OF ORGANIC COMPOSITIONS MICHIGAN STATE UNIVERSITY (US) 2006-07-13 WO disclosed
US-4172146-A Substituted phenyl derivatives CIBA-GEIGY CORPORATION (US) 1979-10-23 US disclosed
US-4153604-A INSECTICIDES CIBA-GEIGY CORPORATION (US) 1979-05-08 US disclosed
US-4069344-A INSECTICIDAL SUBSTITUTED PHENYL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-01-17 US disclosed
US-4067972-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1978-01-10 US disclosed
US-4058604-A OR ACARICIDALLY ACTIVE SUBSTANCES CIBA-GEIGY AG (CH) 1977-11-15 US disclosed
US-4035488-A Insecticidal and acaricidal substituted phenyl thiophosphoric acid esters CIBA-GEIGY CORPORATION (US) 1977-07-12 US disclosed
US-4017563-A INSECTICIDES, REDUCED TOXICITY TO MAMMALS CIBA-GEIGY AG (CH) 1977-04-12 US disclosed
US-4003964-A ACARICIDES, INSECTICIDES, NEMATOCIDES CIBA-GEIGY AG (CH) 1977-01-18 US disclosed
US-3966921-A NEMATOCIDES CIBA-GEIGY CORPORATION (US) 1976-06-29 US disclosed
US-3956306-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed
US-3948940-A Pesticidal phthalimido phosphorous ester compounds CIBA-GEIGY CORPORATION (US) 1976-04-06 US disclosed
US-3941829-A PESTICIDE CIBA-GEIGY CORPORATION (US) 1976-03-02 US disclosed
US-3940412-A 2,4,5-Trichloro- and 2,4,5-tribromoimidazole derivatives and pesticidal compositions containing them CIBA-GEIGY AG (CH) 1976-02-24 US disclosed
US-3935224-A 4H-Pyrido[3,2a]-1,3,2-dioxophosphorane derivatives CIBA-GEIGY CORPORATION (US) 1976-01-27 US disclosed
US-3934010-A MITICIDE CIBA-GEIGY CORPORATION (US) 1976-01-20 US disclosed
US-3933945-A O-ethyl-S-(n)propyl-S-diallylcarbmoylmethyldithiophosphate CIBA-GEIGY CORPORATION (US) 1976-01-20 US disclosed
US-3932630-A Triazolyl phosphorus esters as pesticides CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed
US-3932629-A Triazolyl phosphorus esters as pesticides CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed