SCHEMBL8940847

SCHEMBL8940847

CCC(C)c1ccc(O)c(-c2cc(C(C)CC)ccc2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 2/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
ALOX12 P18054 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.45
BCHE P06276 2/20 0.44
TYR P14679 2/20 0.44
ACHE P22303 2/20 0.44
SLC22A3 O75751 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
SCHEMBL28161630 0.87 GAA (0.67) ALDH1A1ALOX15USP2GAAPKM
SCHEMBL178482 0.85 TSHR (0.62) ALDH1A1ALOX15USP2GAAPKM
SCHEMBL2740733 0.83 TUBB4A (0.57) ALDH1A1ALOX15USP2GAAPKM
SCHEMBL8298141 0.79 ALDH1A1 (0.60) ALDH1A1ALOX15USP2GAAPKM
SCHEMBL12909064 0.76 ALDH1A1 (0.47) ALDH1A1ALOX15USP2GAAPKM
SCHEMBL9963706 0.75 ALDH1A1 (0.49) ALDH1A1ALOX15USP2GAAPKM
SCHEMBL11436456 0.74 ALDH1A1 (0.49) ALDH1A1ALOX15USP2GAAPKM
SCHEMBL18885070 0.74 TSHR (0.57) TSHRCYP3A4NFKB1BCHETYR
SCHEMBL4976111 0.74 ALDH1A1 (0.49) ALDH1A1ALOX15USP2GAAPKM
SCHEMBL17070149 0.74 ALDH1A1 (0.56) ALDH1A1ALOX15USP2GAAPKM

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-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 EP disclosed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 WO disclosed