SCHEMBL31247992

SCHEMBL31247992

CCc1cc(C(=O)O)c(C(=O)O)c(Br)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.38
TSHR P16473 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
PRNP P04156 1/20 0.36
CYP1A2 P05177 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
SCHEMBL14989249 0.85 GABRP (0.42) HSD17B10TSHRGABRA1GABRB2GABRP
SCHEMBL996689 0.83 GABRP (0.41) HSD17B10TSHRGABRA1GABRB2GABRP
SCHEMBL3821056 0.80 GABRP (0.39) HSD17B10TSHRGABRA1GABRB2GABRP
SCHEMBL4639965 0.79 GABRP (0.43) HSD17B10TSHRGABRA1GABRB2GABRP
SCHEMBL29277044 0.79 MRGPRX4 (0.38) HSD17B10TSHRGABRA1GABRB2GABRP
SCHEMBL6703542 0.79 HMGB1 (0.34) HSD17B10TSHRPTPN1HMGB1CXCL12
SCHEMBL28337802 0.79 ALDH1A1 (0.40) HSD17B10TSHRGABRA1GABRB2GABRP
SCHEMBL7920487 0.77 GABRP (0.40) HSD17B10TSHRGABRA1GABRB2GABRP
SCHEMBL4626525 0.76 GABRP (0.39) HSD17B10TSHRGABRA1GABRB2GABRP
SCHEMBL27770817 0.76 KDM4E (0.39) GABRA1GABRB2GABRPGABRDGABRB1

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
CN-119019466-A Preparation of indane derivatives and indene derivatives with pi-electron system substituents by utilizing continuous movement reaction of carbon atoms in organic molecules and preparation method thereof 河南省科学院化学研究所有限公司 2024-11-26 CN disclosed