SCHEMBL5670519

SCHEMBL5670519

CC(C)(C)c1c(Cl)ccc(C(=O)O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOTUM Q6P988 3/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
LMNA P02545 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CLCN2 P51788 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
MYC P01106 1/20 0.38
NR4A1 P22736 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL19813279 0.81 TSHR (0.40) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL21776979 0.81 NOTUM (0.56) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL10222516 0.77 TSHR (0.57) TSHRALDH1A1SMN1; SMN2NOTUMAKR1C2
SCHEMBL4942021 0.77 CYP1A2 (0.50) TSHRALDH1A1CASP1SMN1; SMN2NOTUM
SCHEMBL4339765 0.75 ALDH1A1 (0.36) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL29886586 0.74 TSHR (0.64) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL432644 0.74 TSHR (0.64) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL29154613 0.74 AKR1C2 (0.39) TSHRALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL9889139 0.74 NOTUM (0.38) NOTUMTDP1
SCHEMBL108571 0.74 TSHR (0.52) TSHRALDH1A1TP53CASP1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
US-20060210812-A1 Insulating film and method of forming the same JSR CORPORATION (JP) 2006-09-21 US disclosed
EP-1679184-A1 LAMINATE AND METHOD FOR FORMATION THEREOF, INSULATING FILM, SEMICONDUCTOR DEVICE, AND COMPOSITION FOR FORMING FILM JSR Corporation (JP) 2006-07-12 EP disclosed