SCHEMBL11038191

SCHEMBL11038191

CCC[C@H]1CC[C@H](c2ccc(CC(=O)OC)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
CYP2C9 P11712 1/20 0.58
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
GAA P10253 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
ESR2 Q92731 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
RORC P51449 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP19A1 P11511 1/20 0.39
TP53 P04637 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
SCHEMBL11038194 1.00 MAPT (0.59) MAPTALDH1A1LMNACYP2C9KMT2A
SCHEMBL27516820 0.92 MAPT (0.50) MAPTALDH1A1LMNACYP2C9KMT2A
SCHEMBL10810960 0.91 MAPT (0.49) MAPTALDH1A1LMNACYP2C9KMT2A
SCHEMBL11043113 0.91 MAPT (0.49) MAPTALDH1A1LMNACYP2C9KMT2A
SCHEMBL11038743 0.90 MAPT (0.48) MAPTALDH1A1LMNACYP2C9CYP4F2
SCHEMBL11038746 0.90 MAPT (0.48) MAPTALDH1A1LMNACYP2C9CYP4F2
SCHEMBL27497584 0.90 MAPT (0.48) MAPTALDH1A1LMNACYP2C9CYP4F2
SCHEMBL27496248 0.89 CYP19A1 (0.50) MAPTALDH1A1LMNACYP2C9CYP4F2
SCHEMBL925686 0.88 CYP4F2 (0.56) MAPTALDH1A1LMNACYP4F2CYP4A11
SCHEMBL11042574 0.86 CYP2C9 (0.56) MAPTALDH1A1LMNACYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0118046-A1 Liquid crystal compounds, liquid crystal compositions and liquid crystal display devices HITACHI, LTD. (JP) 1984-09-12 EP disclosed