SCHEMBL7418601

SCHEMBL7418601

CC(Cc1ccccc1)C(C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.55
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CPA1 P15085 2/20 0.50
CPA3 P15088 2/20 0.50
ACE P12821 1/20 0.50
FOLH1 Q04609 1/20 0.50
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL28314763 0.98 TRPA1 (0.57) TRPA1CYP1A2CYP2D6ALPIPKM
SCHEMBL473506 0.83 TRPA1 (0.59) TRPA1CYP1A2CYP2D6ALPIPKM
SCHEMBL15834925 0.83 TRPA1 (0.59) TRPA1CYP1A2CYP2D6ALPIPKM
SCHEMBL14946403 0.82 TRPA1 (0.63) TRPA1CYP1A2CYP2D6ALPIPKM
SCHEMBL8289807 0.82 TRPA1 (0.63) TRPA1CYP1A2CYP2D6ALPIPKM
SCHEMBL5175217 0.80 TRPA1 (0.55) TRPA1CYP1A2CYP2D6ALPIPKM
SCHEMBL2587284 0.80 SLC1A3 (0.65) TRPA1CYP1A2CYP2D6ALPIPKM
SCHEMBL2587281 0.80 SLC1A3 (0.65) TRPA1CYP1A2CYP2D6ALPIPKM
SCHEMBL30963017 0.80 SLC1A3 (0.65) TRPA1CYP1A2CYP2D6ALPIPKM
SCHEMBL15835402 0.80 SLC1A3 (0.65) TRPA1CYP1A2CYP2D6ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113831628-A Porous plum blossom pipe and preparation method thereof 义博通信设备集团股份有限公司 2021-12-24 CN claimed
CN-113831628-A Porous plum blossom pipe and preparation method thereof 义博通信设备集团股份有限公司 2021-12-24 CN disclosed
CN-109678996-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-109678998-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed
CN-109679006-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-08-03 CN disclosed
CN-109679004-B Catalyst component and catalyst system for olefin polymerization, prepolymerized catalyst system and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN disclosed
EP-1230225-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-08-14 EP disclosed
WO-2001032632-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 WO disclosed