SCHEMBL23938618

SCHEMBL23938618

C/C=C\c1c(C)oc2c(N)cccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ELANE P08246 1/20 0.35
PIK3CA P42336 1/20 0.34
NR4A2 P43354 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PSMB8 P28062 1/20 0.32
KEAP1 Q14145 1/20 0.31
CD44 P16070 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PARP1 P09874 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
SCHEMBL19904824 0.82 MCL1 (0.41) ALDH1A1ELANEESR1ESR2
SCHEMBL21765369 0.82 ELANE (0.33) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL21765402 0.82 ELANE (0.33) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL6590934 0.76 CYP3A4 (0.46) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL7816913 0.74 NPC1 (0.45) CYP3A4ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL7816916 0.74 NPC1 (0.45) CYP3A4ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL22333730 0.74 CYP3A4 (0.35) CYP3A4TSHRALDH1A1PIK3CAESR1
SCHEMBL7829502 0.73 ALDH1A1 (0.39) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL24955928 0.71 AHR (0.44) ALDH1A1NR4A2ESR1ESR2
SCHEMBL18685767 0.71 KDM4E (0.47) CYP3A4ALDH1A1HPGDHSD17B10KDM4E

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-4274402-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2023-11-08 EP disclosed
EP-3896073-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-10-20 EP disclosed