SCHEMBL21677129

SCHEMBL21677129

CC1CCCN(C(=O)C(C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.69
▸ ALDH1A1 P00352 9/20 0.63
▸ HPGD P15428 7/20 0.63
▸ KDM4E B2RXH2 7/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ RECQL P46063 2/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ LMNA P02545 1/20 0.49
▸ USP2 O75604 2/20 0.49
▸ CA9 Q16790 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ PABPC1 P11940 1/20 0.48
▸ EIF4H Q15056 1/20 0.48

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
SCHEMBL21629522 0.90 RAB9A (0.68) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21629548 0.90 RAB9A (0.68) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21629546 0.90 RAB9A (0.68) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21629511 0.90 RAB9A (0.68) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30360876 0.90 CYP3A4 (0.61) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21677134 0.89 RAB9A (0.68) RAB9AALDH1A1HPGDKDM4ECYP3A4
SCHEMBL30360892 0.89 RAB9A (0.55) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21629603 0.89 RAB9A (0.73) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21629619 0.89 ALDH1A1 (0.72) RAB9AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21629559 0.88 RAB9A (0.65) RAB9AALDH1A1HPGDKDM4ECYP3A4

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
EP-3598972-A1 4-PHENYL-COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER Lead Discovery Center GmbH (DE) 2020-01-29 — — EP disclosed
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