SCHEMBL9082000

SCHEMBL9082000

CCCc1c[nH]c(-c2ccc[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
BACE1 P56817 1/20 0.30
DAO P14920 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
SCHEMBL9908208 0.76 NPC1 (0.39) NPC1MAPTRAB9AGFERCTSS
SCHEMBL21698268 0.71 BACE1 (0.36) CDK2NPC1MAPTRAB9AGFER
SCHEMBL9082288 0.71 HMBS (0.42) CDK2MAPTDAO
SCHEMBL630634 0.68 HDAC6 (0.41) CDK2MAPTCNR1DAO
SCHEMBL17771473 0.68 CYP1A2 (0.33)
SCHEMBL20206944 0.68
SCHEMBL28457816 0.67 HSD11B1 (0.44) DAO
SCHEMBL12097276 0.66 MPO (0.35) LPLLIPGNPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL7988951 0.66 HDAC6 (0.40) CDK2MAPTCNR1DAO
SCHEMBL28326394 0.65 CTSV (0.46) LPLLIPG

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
WO-1996021665-A1 TURCASARINS, NOVEL EXPANDED PORPHYRINS, AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-07-18 WO disclosed