SCHEMBL29310670

SCHEMBL29310670

CCc1cccc(CC)c1/N=C1C(=N/c2c(CC)cccc2CC)/c2ccc(C)c3c(C)ccc/1c23

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
POLB P06746 1/20 0.33
ANPEP P15144 1/20 0.32
DPP4 P27487 1/20 0.32
PTGS2 P35354 1/20 0.31
ELANE P08246 1/20 0.30
PKM P14618 1/20 0.30
ESR1 P03372 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
SCHEMBL19625543 0.81 CYP1B1 (0.44) GABRA1GABRB2POLB
SCHEMBL19625541 0.79 POLB (0.41) GABRA1GABRB2POLBPKM
SCHEMBL31619719 0.75 CYP1B1 (0.40) GABRA1GABRB2POLB
SCHEMBL31619755 0.74 ALDH1A1 (0.37) GABRA1GABRB2
SCHEMBL23331999 0.73 LMNA (0.34) GABRA1GABRB2ANPEPDPP4
SCHEMBL12111779 0.73 GABRA1 (0.41) GABRA1GABRB2POLBANPEPDPP4
SCHEMBL31619779 0.70 PDCD1 (0.37) GABRA1GABRB2DPP4
SCHEMBL24119169 0.68 NQO1 (0.36) GABRA1GABRB2POLBPTGS2PKM
SCHEMBL31619780 0.67 MAOA (0.37)
SCHEMBL31619765 0.67 PDCD1 (0.37)

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
US-20240228680-A1 METHOD FOR PREPARING POLYMER, AND OBTAINED POLYMER CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2024-07-11 US disclosed
US-20240228680-A1 METHOD FOR PREPARING POLYMER, AND OBTAINED POLYMER CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2024-07-11 US disclosed