SCHEMBL13707358

SCHEMBL13707358

c1ccc2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7scc8ccccc78)s6)s5)s4)s3)scc2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GPR3 P46089 1/20 0.31
▸ HPRT1 P00492 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL14960823 0.89 HSD17B1 (0.42) ALDH1A1CYP2A6KDM4ENPC1RAB9A
SCHEMBL13261664 0.82 ALDH1A1 (0.43) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL13707357 0.78 ALDH1A1 (0.36) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL1536200 0.78 RPS6KB2 (0.43) ALDH1A1HSD17B10TDP1KDM4ENPC1
SCHEMBL23263985 0.74 HPRT1 (0.33) ALDH1A1GPR3HPRT1MAPTRAB9A
SCHEMBL18160955 0.74 ALDH1A1 (0.38) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL23264094 0.73 CYP1B1 (0.38) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL20248885 0.72 CYP1A1 (0.40) ALDH1A1KDM4EMAPTRAB9A
SCHEMBL14960843 0.71 HSD17B1 (0.42) ALDH1A1CYP2A6HSD17B10KDM4ENPC1
SCHEMBL20837440 0.71 ALDH1A1 (0.37) ALDH1A1CYP2A6TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090218933-A1 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD (JP) 2009-09-03 — — US disclosed
US-20090218933-A1 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD (JP) 2009-09-03 — — US disclosed
US-20080100213-A1 LUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 — — US disclosed
US-20080100213-A1 LUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 — — US disclosed
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