SCHEMBL9838643

SCHEMBL9838643

CCCCCCOc1csc(-c2cc(OCCCCCC)cs2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.47
TSHR P16473 2/20 0.46
PLA2G2A P14555 2/20 0.46
TP53 P04637 2/20 0.42
LTA4H P09960 3/20 0.42
PLA2G4B P0C869 1/20 0.41
BLM P54132 1/20 0.41
RARB P10826 3/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMPD1 P17405 2/20 0.39

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
SCHEMBL9509027 1.00 NR5A1 (0.47) NR5A1TSHRPLA2G2ATP53LTA4H
SCHEMBL5573644 0.98 NR5A1 (0.44) NR5A1TSHRPLA2G2ATP53LTA4H
SCHEMBL25202306 0.81 NR5A1 (0.44) NR5A1TSHRPLA2G2ATP53LTA4H
SCHEMBL28007216 0.81 NR5A1 (0.44) NR5A1TSHRPLA2G2ATP53LTA4H
SCHEMBL31498471 0.81 NR5A1 (0.44) NR5A1TSHRPLA2G2ATP53LTA4H
SCHEMBL27824518 0.80 ALDH1A1 (0.46) TP53LTA4HNPC1LMNAGAA
SCHEMBL21808139 0.80 ABCB1 (0.38) NR5A1TSHRPLA2G2ATP53NPC1
SCHEMBL11718471 0.78 PLA2G2A (0.44) NR5A1TSHRPLA2G2ATP53LTA4H
SCHEMBL27842271 0.78 PLA2G2A (0.44) NR5A1TSHRPLA2G2ATP53LTA4H
SCHEMBL9016884 0.77 PLA2G2A (0.68) NR5A1TSHRPLA2G2ATP53LTA4H

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
EP-0416567-A2 Intrinsically electro-conductive polymers, process for preparing the same and use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed