SCHEMBL15977779

SCHEMBL15977779

Cc1ccc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.40
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2A6 P11509 2/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
IKBKB O14920 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 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
SCHEMBL18174590 0.96 CTRC (0.41) CTRCCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL15977410 0.95 CTRC (0.42) CTRCCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL10032679 0.90 CYP3A4 (0.43) CTRCCYP3A4ALDH1A1HPGDCYP2A6
SCHEMBL20176785 0.89 CYP1A2 (0.42) CTRCCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL10032752 0.89 CYP3A4 (0.40) CTRCCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL10032924 0.88 CYP3A4 (0.42) CTRCCYP3A4ALDH1A1HPGDCYP2A6
SCHEMBL10032507 0.88 CYP3A4 (0.42) CTRCCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL15977474 0.87 CYP11B1 (0.44) NPC1RAB9AESR1ESR2CYP11B1
SCHEMBL15977545 0.87 CYP11B1 (0.44) NPC1RAB9AESR1ESR2CYP11B1
SCHEMBL10032784 0.87 CCR1 (0.43) CTRCCYP3A4ALDH1A1CYP1A2CYP2C9

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-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed