SCHEMBL7955890

SCHEMBL7955890

CCCC(=O)Oc1c(OC)cc(C(=O)O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.54
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA4 P22748 2/20 0.51
CA6 P23280 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA3 P07451 1/20 0.51
PKM P14618 1/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
PTGS2 P35354 1/20 0.49
TSHR P16473 2/20 0.46
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL3607900 0.90 ALOX15 (0.45) TPMTCA12CA1CA2CA4
SCHEMBL18857318 0.83 TPMT (0.50) TPMTCA12CA1CA2CA4
SCHEMBL28721204 0.82 ALOX15 (0.41) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL23903478 0.81 TPMT (0.51) TPMTCA12CA1CA2CA4
SCHEMBL6763903 0.81 KMT2A (0.55) TPMTCA12CA1CA2CA4
Alcohol SCHEMBL8511507 0.80 TPMT (0.57) TPMTCA12CA1CA2CA4
SCHEMBL6762845 0.79 KDM4E (0.50) KMT2AKDM4EMEN1LMNA
SCHEMBL8038069 0.79 ALDH1A1 (0.48) TSHRKMT2AALDH1A1KDM4EMEN1
SCHEMBL27484435 0.79 ALOX15 (0.46) PTGS2KMT2AALDH1A1KDM4EMEN1
SCHEMBL6759814 0.78 KDM4E (0.49) TSHRKMT2AKDM4EMEN1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed