SCHEMBL8441406

SCHEMBL8441406

COc1c(C)cccc1COc1cccc(C2CC2c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ KDM1A O60341 10/20 0.41
▸ MAOB P27338 7/20 0.40
▸ MAOA P21397 6/20 0.40
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL8443145 0.84 KDM1A (0.50) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL7456133 0.77 MAOB (0.56) MAOBMAOA
SCHEMBL8013728 0.72 KDM1A (0.39) KDM1AMAOBMAOA
SCHEMBL8083999 0.72 HIF1A (0.41) KDM1A
SCHEMBL8083996 0.72 HIF1A (0.41) KDM1A
SCHEMBL8443676 0.71 F10 (0.42) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL8079209 0.71 HIF1A (0.47) KDM1AMAOBMAOA
SCHEMBL8079208 0.71 HIF1A (0.47) KDM1AMAOBMAOA
SCHEMBL10612349 0.70 KDM4E (0.53) KDM1APTGER4PTGER3PTGER2
SCHEMBL12971911 0.65 KDM1A (0.58) HTR2CKDM1AMAOBMAOA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945557-A PHENYL DERIVATIVES WHICH POSSESS A SUBSTITUTED CYCLOPROPYL MOIETY; USEFUL AGAINST POWDERY MILDEW, BLIGHT AND OTHER PLATN DISEASES; INSECTICIDES AGAINST SOUTHERN ARMYWORM, MEXICAN BEAN BEETLE AND SPIDER MITES, FOR EXAMPLE ROHM AND HAAS COMPANY (US) 1999-08-31 — — US disclosed
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