SCHEMBL9577031

SCHEMBL9577031

CC(C)(C)CC(C)(C)c1ccc([O])cc1.CC(C)(C)c1ccc([O])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.55
▸ CYP3A4 P08684 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MDH1 P40925 1/20 0.36
▸ MDH2 P40926 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GRIA4 P48058 1/20 0.35

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
SCHEMBL200171 0.94 SHBG (0.61) SHBGCYP3A4SMN1; SMN2ALDH1A1TSHR
SCHEMBL9577021 0.86 SHBG (0.53) SHBGCYP3A4SMN1; SMN2ALDH1A1TSHR
SCHEMBL55222 0.82 TSHR (0.55) SMN1; SMN2ALDH1A1TSHRTP53LMNA
SCHEMBL7063934 0.79 SHBG (0.88) SHBGCYP3A4SMN1; SMN2ALDH1A1TSHR
Formaldehyde SCHEMBL28351070 0.79 SHBG (0.78) SHBGCYP3A4SMN1; SMN2ALDH1A1TSHR
SCHEMBL29065752 0.78 SHBG (0.53) SHBGCYP3A4SMN1; SMN2ALDH1A1TSHR
SCHEMBL20951293 0.78 SHBG (0.53) SHBGCYP3A4SMN1; SMN2ALDH1A1TSHR
SCHEMBL15266266 0.75 SHBG (0.41) SHBGCYP3A4SMN1; SMN2LMNAMDH1
SCHEMBL9938320 0.75 KIF11 (0.56) ALDH1A1TSHRLMNATYRCA9
SCHEMBL4397704 0.75 KIF11 (0.56) ALDH1A1TSHRLMNATYRCA9

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
EP-0335214-B1 Polycarbonate IDEMITSU PETROCHEMICAL CO (JP) 1993-12-08 — — EP disclosed
EP-0335214-A2 Polycarbonate IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1989-10-04 — — EP disclosed
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