SCHEMBL28630984

SCHEMBL28630984

CCc1cccc(P(=O)(O)O)c1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.45
▸ GABRB2 P47870 4/20 0.45
▸ PTK2B Q14289 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALPG P10696 1/20 0.36
▸ NLRP3 Q96P20 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ACP3 P15309 1/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ DAO P14920 1/20 0.34
▸ DDO Q99489 1/20 0.34

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
SCHEMBL344617 0.81 PTK2B (0.46) GABRA1GABRB2PTK2BNPC1POLB
SCHEMBL1537947 0.80 GABRA1 (0.45) GABRA1GABRB2PTK2BNPC1POLB
Hydrochloric Acid SCHEMBL10824664 0.79 PTK2B (0.44) GABRA1GABRB2PTK2BNPC1POLB
SCHEMBL10979918 0.77 GABRA1 (0.42) GABRA1GABRB2PTK2BNPC1POLB
SCHEMBL995160 0.77 PTK2B (0.40) GABRA1GABRB2PTK2BNPC1POLB
SCHEMBL125243 0.77 ATM (0.44) PTK2BNPC1POLBALDH1A1RAB9A
SCHEMBL29688212 0.77 ATM (0.44) PTK2BNPC1POLBALDH1A1RAB9A
SCHEMBL18334406 0.77 GABRA1 (0.38) GABRA1GABRB2PTK2BNPC1POLB
SCHEMBL18261811 0.76 GABRA1 (0.41) GABRA1GABRB2PTK2BNPC1POLB
SCHEMBL599099 0.75 GABRA1 (0.57) GABRA1GABRB2NLRP3DAO

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-106414525-B Photocurable resin composition 电化株式会社 2021-09-21 — — CN disclosed
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