SCHEMBL24488809

SCHEMBL24488809

CCOc1cc(C(=O)SCC)c(Cl)c(OCC)c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RORC P51449 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29633597 0.81 ALDH1A1 (0.43) TSHRHSD17B10LMNAHTTCYP3A4
SCHEMBL22946235 0.81 ALDH1A1 (0.43) TSHRHSD17B10LMNAHTTCYP3A4
SCHEMBL9303456 0.71 ADORA3 (0.35) TSHRHSD17B10LMNACYP3A4ALDH1A1
SCHEMBL28706149 0.69 TDP1 (0.48) TSHRHSD17B10HTTCYP3A4ALDH1A1
SCHEMBL31634962 0.69 TDP1 (0.48) TSHRHSD17B10HTTCYP3A4ALDH1A1
SCHEMBL29633557 0.68 TSHR (0.44) TSHRHSD17B10LMNAHTTCYP3A4
SCHEMBL16575395 0.67 TSHR (0.44) TSHRHSD17B10LMNAHTTCYP3A4
Ammonia Solution, Strong SCHEMBL28263808 0.66 TSHR (0.57) TSHRHSD17B10LMNAHTTCYP3A4
SCHEMBL31634964 0.66 TDP1 (0.45) TSHRHSD17B10LMNAHTTCYP3A4
SCHEMBL28719326 0.66 TDP1 (0.45) TSHRHSD17B10LMNAHTTCYP3A4

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