SCHEMBL24488761

SCHEMBL24488761

Bc1c(OC)cc(C(C)=O)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.67
▸ HTT P42858 2/20 0.48
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA4 P22748 2/20 0.45
▸ CA6 P23280 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA14 Q9ULX7 2/20 0.45
▸ CA5A P35218 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CA3 P07451 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45

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
SCHEMBL257440 0.83 CA1 (0.67) LMNAHTTCA12CA1CA2
SCHEMBL18867077 0.83 LMNA (0.67) LMNAHTTCA12CA1CA2
SCHEMBL16502260 0.82 LMNA (0.60) LMNAHTTTSHRALDH1A1TPMT
SCHEMBL12331341 0.81 CA12 (0.44) LMNAHTTCA12CA1CA2
SCHEMBL13909003 0.81 MAPT (0.53) LMNACA12CA1CA2CA4
SCHEMBL12327904 0.80 LMNA (0.69) LMNAHTTCA12CA1CA2
SCHEMBL290542 0.80 LMNA (0.69) LMNAHTTTSHRCYP3A4ALDH1A1
Acetosyringone SCHEMBL15511 0.80 LMNA (1.00) LMNAHTTCA12CA1CA2
SCHEMBL13141010 0.79 LMNA (0.62) LMNAHTTCA12CA1CA2
SCHEMBL12526814 0.78 LMNA (0.67) LMNAHTTCA12CA1CA2

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
EP-4008405-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR Taisho Pharmaceutical Co., Ltd. (JP) 2022-06-08 — — EP disclosed
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