SCHEMBL11844907

SCHEMBL11844907

O=C(O)C(Cl)c1ccc(-c2ccccc2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ BCL2L1 Q07817 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ADAMTS4 O75173 1/20 0.46
▸ PRKAB2 O43741 4/20 0.42
▸ PRKAG1 P54619 4/20 0.42
▸ PRKAA2 P54646 4/20 0.42
▸ PRKAA1 Q13131 4/20 0.42
▸ PRKAG3 Q9UGI9 4/20 0.42
▸ PRKAG2 Q9UGJ0 4/20 0.42
▸ PRKAB1 Q9Y478 4/20 0.42
▸ PTGS2 P35354 3/20 0.41
▸ PTGS1 P23219 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ FABP2 P12104 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL11788735 0.83 CYP2A6 (0.53) HPGDHSD17B10PTGS2PTGS1KMT2A
SCHEMBL11838674 0.83 PTGS2 (0.41) HPGDPTGS2PTGS1KMT2AMEN1
SCHEMBL11793687 0.81 ALDH1A1 (0.52) HPGDALDH1A1PTGS2PTGS1KMT2A
SCHEMBL11847394 0.81 ALDH1A1 (0.52) HPGDALDH1A1HSD17B10ADAMTS4PTGS2
SCHEMBL11841900 0.81 PTGS2 (0.40) HPGDPTGS2PTGS1KMT2AMEN1
SCHEMBL11842067 0.81 AKR1C3 (0.53) HPGDALDH1A1PTGS2PTGS1KMT2A
SCHEMBL11846562 0.81 PPARG (0.49) HPGDPTGS2PTGS1KMT2AMEN1
SCHEMBL11839188 0.81 PTGS2 (0.59) PTGS2PTGS1CYP2C9CYP2C19TSHR
SCHEMBL11838727 0.81 LMNA (0.59) HPGDALDH1A1BCL2L1HSD17B10ADAMTS4
SCHEMBL11841890 0.79 ALDH1A1 (0.41) HPGDALDH1A1BCL2L1HSD17B10ADAMTS4

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
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
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