SCHEMBL9011955

SCHEMBL9011955

O=C(CCC1CCCC1)OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.55
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.44
KLK7 P49862 3/20 0.43
HTT P42858 1/20 0.43
CYP19A1 P11511 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL9012245 0.98 NAAA (0.56) NAAACYP2C19SMN1; SMN2HPGDKLK7
SCHEMBL25252093 0.98 NAAA (0.56) NAAACYP2C19SMN1; SMN2HPGDKLK7
SCHEMBL28779449 0.87 NAAA (0.44) NAAACYP2C19SMN1; SMN2HPGDKLK7
SCHEMBL19007855 0.86 NAAA (0.62) NAAACYP2C19SMN1; SMN2HPGDHTT
SCHEMBL30471400 0.85 NAAA (0.45) NAAACYP2C19SMN1; SMN2HPGDKLK7
SCHEMBL207015 0.84 NAAA (0.64) NAAACYP2C19SMN1; SMN2HPGDHTT
SCHEMBL9491685 0.83 NAAA (0.68) NAAACYP2C19SMN1; SMN2HPGDHTT
SCHEMBL7651380 0.83 HPGD (0.47) SMN1; SMN2HPGDKLK7MAPTMEN1
SCHEMBL7568980 0.82 NAAA (0.66) NAAACYP2C19SMN1; SMN2HPGDHTT
SCHEMBL258780 0.82 NAAA (0.66) NAAACYP2C19SMN1; SMN2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125373-A1 METHOD FOR PREPARING RUXOLITINIB AND INTERMEDIATE THEREOF 江苏威凯尔医药科技有限公司 2023-07-06 WO disclosed
CN-116003503-A Preparation method of estradiol cyclopentanepropionate 湖北葛店人福药业有限责任公司 2023-04-25 CN disclosed
US-5525506-A Process for production of avermectins and cultures therefor PFIZER INC. (US) 1996-06-11 US disclosed
US-5238848-A Cultures for production of avermectins PFIZER INC (US) 1993-08-24 US disclosed
US-5077278-A Parasiticides PFIZER INC. (US) 1991-12-31 US disclosed