SCHEMBL8974897

SCHEMBL8974897

CC(C)(C)c1ccc(C(=O)C(Cl)(Cl)Cl)cc1.CC(C)(C)c1ccc(C(=O)C(Cl)Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.43
PDPK1 O15530 1/20 0.43
SRD5A2 P31213 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
HIF1A Q16665 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
RAPGEF3 O95398 2/20 0.39
RAPGEF4 Q8WZA2 2/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL8406967 0.89 HDAC1 (0.53) HDAC1POLBALDH1A1PDPK1SRD5A2
SCHEMBL83325 0.89 HDAC1 (0.53) HDAC1POLBALDH1A1PDPK1SRD5A2
SCHEMBL126248 0.88 HDAC1 (0.55) HDAC1POLBALDH1A1SRD5A2HSD17B10
Benzoin SCHEMBL6272429 0.78 CES2 (0.57) ALDH1A1SRD5A2TSHRHSD17B10NPC1
SCHEMBL11850488 0.77 HDAC1 (0.52) HDAC1POLBALDH1A1SRD5A2TSHR
SCHEMBL10714051 0.76 HDAC1 (0.55) HDAC1POLBALDH1A1SRD5A2HSD17B10
SCHEMBL11451484 0.76 PDPK1 (0.53) HDAC1POLBALDH1A1PDPK1TSHR
SCHEMBL3366395 0.74 GSK3B (0.66) HDAC1POLBALDH1A1SRD5A2TSHR
SCHEMBL23571738 0.73 HDAC1 (0.52) HDAC1POLBALDH1A1SRD5A2TSHR
SCHEMBL31186169 0.73 PDPK1 (0.70) PDPK1TSHRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076656-A1 HIGH DEFINITION MOLECULAR ARRAY FEATURE GENERATION USING PHOTORESIST 10X GENOMICS, INC. (US) 2024-03-07 US disclosed
US-5525645-A Resin composition for optical molding ASAHI DENKA KOGYO K.K. (JP) 1996-06-11 US disclosed