SCHEMBL30420728

SCHEMBL30420728

COc1cc(C(=O)O)cc(-c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.69
FABP1 P07148 2/20 0.55
DHODH Q02127 2/20 0.54
BRD4 O60885 4/20 0.53
STIM1 Q13586 1/20 0.52
ORAI1 Q96D31 1/20 0.52
KMO O15229 1/20 0.52
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP4B1 P13584 1/20 0.50

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
SCHEMBL14150399 1.00 RXRA (0.69) RXRAFABP1DHODHBRD4STIM1
SCHEMBL14878383 0.88 RXRA (0.57) RXRABRD4HSD17B1HSD17B2CYP1A1
SCHEMBL14150405 0.86 RXRA (0.56) RXRABRD4HSD17B1HSD17B2CA1
SCHEMBL2556922 0.85 FABP1 (0.56) RXRAFABP1STIM1ORAI1KMO
SCHEMBL29572748 0.85 RXRA (0.67) RXRAFABP1DHODHHSD17B1HSD17B2
SCHEMBL29128751 0.85 RXRA (0.72) RXRASTIM1ORAI1CA1CA2
SCHEMBL2558136 0.85 RXRA (0.73) RXRASTIM1ORAI1HSD17B1HSD17B2
SCHEMBL2958179 0.85 RXRA (0.68) RXRAFABP1STIM1ORAI1HSD17B1
SCHEMBL2953758 0.85 RXRA (0.63) RXRABRD4STIM1ORAI1CA1
SCHEMBL14784048 0.84 RXRA (0.54) RXRAFABP1STIM1ORAI1CYP1A1

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-111511731-B Olefin compounds as modulators of the farnesol X receptor 百时美施贵宝公司 2023-05-23 CN claimed