SCHEMBL21019289

SCHEMBL21019289

CC1CC=Cc2c1oc1ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PGAM1 P18669 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ RECQL P46063 1/20 0.32
▸ HTT P42858 2/20 0.31

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
SCHEMBL20860970 0.81 TSHR (0.35) TAAR1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL20018993 0.80 KDM4E (0.41) KDM4ESMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL22084924 0.80 KMT2A (0.42) TAAR1KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL22147062 0.80 PIM1 (0.36) TAAR1SMN1; SMN2ALDH1A1MAPTCYP3A4
SCHEMBL21171349 0.79 TAAR1 (0.36) TAAR1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL17885008 0.78 MCL1 (0.36) TAAR1ACHE
SCHEMBL13376074 0.77 CYP2C9 (0.36) TAAR1KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL19042718 0.77 TAAR1 (0.36) TAAR1
SCHEMBL22423590 0.76 ALDH1A1 (0.31) HSD17B10ALDH1A1CYP3A4HPGDTSHR
SCHEMBL22524162 0.75 LMNA (0.39) SMN1; SMN2ALDH1A1HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597932-B1 MANUFACTURING METHOD FOR ORGANIC LIGHT-EMITTING DEVICE SUMITOMO CHEMICAL CO (JP) 2021-04-14 — — EP disclosed
EP-3067360-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-05-22 — — EP disclosed
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