SCHEMBL11850488

SCHEMBL11850488

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
SRD5A2 P31213 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR1H4 Q96RI1 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
HIF1A Q16665 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
SIRT1 Q96EB6 1/20 0.44
GLA P06280 1/20 0.44
ATM Q13315 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
SCHEMBL8406967 0.86 HDAC1 (0.53) HDAC1SRD5A2POLBALDH1A1TSHR
SCHEMBL83325 0.86 HDAC1 (0.53) HDAC1SRD5A2POLBALDH1A1TSHR
SCHEMBL3232491 0.83 HDAC1 (0.55) HDAC1SRD5A2POLBALDH1A1TSHR
SCHEMBL5951864 0.82 GSK3B (0.61) SRD5A2TSHRNPC1RAB9AMEN1
SCHEMBL23571731 0.82 HDAC1 (0.53) HDAC1SRD5A2POLBALDH1A1TSHR
SCHEMBL10712638 0.82 ALDH1A1 (0.54) HDAC1SRD5A2POLBALDH1A1TSHR
SCHEMBL11461859 0.80 HDAC1 (0.52) HDAC1SRD5A2POLBALDH1A1TSHR
SCHEMBL11851363 0.79 HDAC1 (0.47) HDAC1SRD5A2POLBALDH1A1TSHR
SCHEMBL28919235 0.79 ALDH1A1 (0.56) HDAC1SRD5A2POLBALDH1A1TSHR
SCHEMBL28362610 0.78 NR1H4 (0.58) HDAC1SRD5A2POLBALDH1A1TSHR

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-3968168-A P-tert-butyl-diphenylalkane insecticides MOBIL OIL CORPORATION (US) 1976-07-06 US disclosed
US-3939218-A P-Tert-butyl-diphenylalkane insecticides MOBIL OIL CORPORATION (US) 1976-02-17 US disclosed