SCHEMBL8423725

SCHEMBL8423725

O=C(O)C1(Oc2ccc(F)cc2)CCOC(CSc2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ LMNA P02545 3/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ GRM3 Q14832 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ CTSK P43235 1/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL8425466 0.89 DRD4 (0.46) HSD17B10DRD4HPGDALDH1A1SMN1; SMN2
SCHEMBL8424027 0.89 ALDH1A1 (0.36) HSD17B10DRD4HPGDALDH1A1SMN1; SMN2
SCHEMBL8424068 0.79 DRD4 (0.43) HSD17B10DRD4HPGDALDH1A1LMNA
SCHEMBL8424173 0.78 ALDH1A1 (0.36) HSD17B10DRD4HPGDALDH1A1SMN1; SMN2
SCHEMBL8423589 0.78 DRD4 (0.41) DRD4HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL8425305 0.70 MMP1 (0.37) HSD17B10HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL29730112 0.69 MAP4K4 (0.39) SMN1; SMN2LMNAGAACYP3A4CYP2C9
SCHEMBL8423700 0.69 HSD11B1 (0.37) HSD17B10HPGDALDH1A1LMNARAB9A
SCHEMBL29730148 0.67 HSD11B1 (0.42) CTSKCXCR2GAAHSD11B1
SCHEMBL8423721 0.67 ALDH1A1 (0.39) HSD17B10HPGDALDH1A1SMN1; SMN2GRM2

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 — — US disclosed
Send feedback