SCHEMBL7741472

SCHEMBL7741472

c1cc(C[C]2CCCC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.48
CYP11B1 P15538 6/20 0.48
CYP11B2 P19099 6/20 0.48
CYP19A1 P11511 3/20 0.48
CYP3A4 P08684 3/20 0.48
POLB P06746 1/20 0.45
GLA P06280 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LTA4H P09960 1/20 0.43
LMNA P02545 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7739173 0.98 CYP17A1 (0.47) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL7741188 0.98 CYP17A1 (0.47) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL7738608 0.98 CYP17A1 (0.47) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL7733513 0.98 CYP17A1 (0.47) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL7733142 0.98 CYP17A1 (0.47) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL13873567 0.81 CYP17A1 (0.65) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL721736 0.78 CYP17A1 (0.61) CYP17A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL2045801 0.77 CALM1 (0.55) POLBLTA4HLMNA
SCHEMBL25343311 0.75 KDM4E (0.45) CYP3A4POLBALDH1A1LTA4HLMNA
SCHEMBL6586984 0.75 CALM1 (0.52) POLBLTA4HHRH3L3MBTL1

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
US-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 US disclosed