SCHEMBL11650660

SCHEMBL11650660

COc1ccc(P(C)(=O)O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.40
TAS1R1 Q7RTX1 7/20 0.40
ALOX15 P16050 1/20 0.39
NQO2 P16083 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
CYP19A1 P11511 1/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL17224528 0.87 FBP1 (0.44) TAS1R3TAS1R1ALOX15LMNATSHR
SCHEMBL17230083 0.79 TAS1R3 (0.38) TAS1R3TAS1R1ALOX15NQO2LMNA
SCHEMBL4406229 0.71 TSHR (0.48) ALOX15TSHRACHECYP1A2CYP3A4
SCHEMBL18417835 0.70 CA1 (0.50) ALOX15ACHESMN1; SMN2
SCHEMBL601374 0.70 TSHR (0.50) ALOX15LMNATSHRCYP3A4
SCHEMBL21836835 0.69 HPGD (0.42) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL11653741 0.69 MEN1 (0.33) NQO2LMNAACHEPKMCYP1A2
SCHEMBL12018596 0.69 TAS1R3 (0.39) TAS1R3TAS1R1ACHECYP1A2CYP3A4
SCHEMBL3040805 0.68 CES2 (0.48) ALOX15LMNATSHRACHEPKM
SCHEMBL344702 0.67 TSHR (0.48) ALOX15LMNATSHRCYP3A4

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-4130410-A Herbicidal use of substituted phenyl phosphinic acids MONSANTO COMPANY (US) 1978-12-19 US disclosed