SCHEMBL27878852

SCHEMBL27878852

Cc1ccc(C(=O)OS)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.48
▸ CNR2 P34972 4/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ CYP2A6 P11509 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC16A3 O15427 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ NR4A2 P43354 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
SCHEMBL870574 0.83 BRD4 (0.51) CYP1A2TSHRMEN1KMT2ABRD4
SCHEMBL11273803 0.80 TSHR (0.63) CNR2CNR1TSHRCDC25B
SCHEMBL7717844 0.78 CYP1A2 (0.59) CYP1A2CNR2CNR1CYP2A6CYP3A4
SCHEMBL31347531 0.76 CYP1A2 (0.56) CYP1A2CNR2CNR1CYP2A6CYP3A4
SCHEMBL669648 0.76 CYP1A2 (0.56) CYP1A2CNR2CNR1CYP2A6SLC16A3
SCHEMBL7371804 0.76 NPC1 (0.50) TSHRPLK1MEN1ESR1KMT2A
SCHEMBL7829452 0.76 CYP1A2 (0.56) CYP1A2CNR2CNR1CYP2A6CYP3A4
SCHEMBL405225 0.76 CYP1A2 (0.56) CYP1A2CNR2CNR1CYP2A6CYP3A4
SCHEMBL26054748 0.76 CYP1A2 (0.50) CYP1A2CNR2CNR1CYP2A6CYP3A4
SCHEMBL6914124 0.75 CYP1A2 (0.54) CYP1A2CNR2CNR1CYP2A6SLC16A3

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-102566269-A Color component, color filter and display element JSR K K 2012-07-11 — — CN disclosed
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