SCHEMBL28853255

SCHEMBL28853255

CC1(C(=O)O)C=C(c2cccc(Cl)c2Cl)C=C(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
PTPN11 Q06124 6/20 0.33
SLC6A3 Q01959 1/20 0.33
CNR2 P34972 1/20 0.32
SRD5A1 P18405 2/20 0.32
SRD5A2 P31213 2/20 0.32
NOTUM Q6P988 1/20 0.32
DHODH Q02127 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL28185681 0.80 HCAR2 (0.34) DHODH
SCHEMBL27775494 0.79 RARB (0.31)
SCHEMBL28046652 0.79 CA1 (0.36) DHODH
SCHEMBL27843061 0.76 SRD5A1 (0.38) TSHRSRD5A1SRD5A2NOTUMALDH1A1
SCHEMBL28093247 0.76 SRD5A1 (0.36) TSHRSLC6A3SRD5A1SRD5A2HPGD
SCHEMBL27770636 0.75 NAPRT (0.39) DHODH
SCHEMBL28856733 0.75 KMT2A (0.39) ALDH1A1LMNA
SCHEMBL27899605 0.74 FOLH1 (0.31)
SCHEMBL28210348 0.73 ALDH1A1 (0.45) TSHRSRD5A1SRD5A2ALDH1A1LMNA
SCHEMBL28185749 0.73 RXRA (0.35) SRD5A1SRD5A2

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-107428744-A Novel heterocyclic compounds and its application in medicine and cosmetics 盖尔德马研究及发展公司 2017-12-01 CN disclosed