SCHEMBL9441909

SCHEMBL9441909

O=[PH](O)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.52
▸ PLA2G10 O15496 1/20 0.48
▸ PLA2G2A P14555 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ IDH1 O75874 1/20 0.45
▸ HNF4A P41235 1/20 0.43
▸ SLC22A2 O15244 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ PPARG P37231 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ SRD5A2 P31213 1/20 0.39
▸ CYP2C9 P11712 1/20 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
Diphenylmethane SCHEMBL1537806 0.84 CALM1 (0.67) CALM1PLA2G10PLA2G2ALMNAIDH1
SCHEMBL17317439 0.82 CALM1 (0.57) CALM1PLA2G10PLA2G2ALMNAIDH1
SCHEMBL36107 0.78 — —
SCHEMBL640311 0.76 TSHR (0.35) CA12CA1CA2CA9CA14
Ammonia Solution, Strong SCHEMBL9441939 0.76 TSHR (0.35) CA12CA1CA2CA9CA14
SCHEMBL23780661 0.76 TSHR (0.35) CA12CA1CA2CA9CA14
SCHEMBL3951569 0.76 TDP1 (0.36) LMNACA12CA1CA2CA9
SCHEMBL772057 0.76 TSHR (0.35) CA12CA1CA2CA9CA14
SCHEMBL673783 0.76 ALDH1A1 (0.35) LMNACA12CA1CA2CA9
SCHEMBL17891672 0.76 TSHR (0.35) CA12CA1CA2CA9CA14

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-5245005-A Amine end groups, phosphinic acid catalyst MONSANTO COMPANY (US) 1993-09-14 — — US claimed
US-5245005-A Amine end groups, phosphinic acid catalyst MONSANTO COMPANY (US) 1993-09-14 — — US disclosed
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