SCHEMBL11512487

SCHEMBL11512487

Cc1cccc(N(C)C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPA1 O75762 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
AKR1B10 O60218 1/20 0.39
ABCB11 O95342 1/20 0.39
DHFR P00374 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL28986106 0.90 GAA (0.43) ALDH1A1KMT2AMEN1LMNATSHR
Benzene SCHEMBL28335658 0.83 TRPM8 (0.50) ALDH1A1KMT2ALMNATRPM8HSD17B1
SCHEMBL1029152 0.83 TRPM8 (0.50) ALDH1A1KMT2ALMNATRPM8HSD17B1
SCHEMBL10944585 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL7034979 0.82 NCEH1 (0.36) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL2089203 0.81 MEN1 (0.46) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL2096466 0.81 HSD17B1 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL10944592 0.80 MAPT (0.44) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL28333244 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1LMNATSHR
Toluene SCHEMBL28335771 0.78 HSD17B1 (0.50) ALDH1A1KMT2ALMNATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3998855-A INSECTICIDES CIBA-GEIGY CORPORATION (US) 1976-12-21 US disclosed
US-3991140-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1976-11-09 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-3933945-A O-ethyl-S-(n)propyl-S-diallylcarbmoylmethyldithiophosphate CIBA-GEIGY CORPORATION (US) 1976-01-20 US disclosed
US-3934010-A MITICIDE 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