SCHEMBL27955484

SCHEMBL27955484

CC1(C2(C(=O)O)CCCCC2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.42
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
AKR1C1 Q04828 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL31693654 0.85 FFAR3 (0.34) FFAR3CYP2C19CYP1A2
SCHEMBL31693675 0.82 FFAR3 (0.36) FFAR3CYP1A2
SCHEMBL15114681 0.81 FFAR3 (0.48) FFAR3CYP2C19SMN1; SMN2LMNABLM
SCHEMBL3831087 0.81 CYP2C19 (0.46) FFAR3CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL10276856 0.81 CYP2C19 (0.46) FFAR3CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL358029 0.81 CYP2C19 (0.46) FFAR3CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL7018595 0.81 CYP2C19 (0.46) FFAR3CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL19003829 0.78 FFAR3 (0.40) FFAR3CYP2C19TSHR
SCHEMBL23245204 0.78 CYP2C19 (0.42) FFAR3CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL11208917 0.78 CYP2C19 (0.42) FFAR3CYP2C19ALDH1A1SMN1; SMN2LMNA

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
CN-103787600-B A kind of ground injection cement composition LIAONING TECHNICAL UNIVERSITY (CN) 2015-10-14 CN disclosed
CN-103787600-A Cement composition for injection of foundation UNIV LIAONING TECHNICAL 2014-05-14 CN disclosed