SCHEMBL2812495

SCHEMBL2812495

CC1C2CC3CC(C2)CC1(CC(=O)O)C3

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
HSD11B1 P28845 6/20 0.38
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2832307 0.83 ALDH1A1 (0.34) ALDH1A1HSD11B1SMN1; SMN2NPSR1
SCHEMBL28120624 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3510746 0.79 ALDH1A1 (0.40) ALDH1A1POLBHSD11B1KDM4EHTT
SCHEMBL700514 0.77 ALDH1A1 (0.36) ALDH1A1POLBHSD11B1SMN1; SMN2KDM4E
SCHEMBL16744360 0.77 ALDH1A1 (0.33) ALDH1A1HSD11B1SMN1; SMN2
SCHEMBL26217994 0.76 ALDH1A1 (0.38) ALDH1A1POLBHSD11B1SMN1; SMN2KDM4E
SCHEMBL30477996 0.76 HSD11B1 (0.46) ALDH1A1POLBHSD11B1SMN1; SMN2KDM4E
SCHEMBL6491717 0.76 ALDH1A1 (0.38) ALDH1A1POLBHSD11B1SMN1; SMN2KDM4E
SCHEMBL8097478 0.76 HSD11B1 (0.48) ALDH1A1POLBHSD11B1KDM4EHTT
SCHEMBL1937747 0.74 GRIN2D (0.32)

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
US-20100248144-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2010-09-30 US disclosed