SCHEMBL25896594

SCHEMBL25896594

C=C(C)C(=O)OC(C)(C)CC(C)Oc1ccc2cc(-c3cnccc3CCCCC)oc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2E1 P05181 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ NDUFS8 O00217 2/20 0.30
▸ COXFA4 O00483 2/20 0.30
▸ NDUFAB1 O14561 2/20 0.30
▸ NDUFA1 O15239 2/20 0.30
▸ NDUFS4 O43181 2/20 0.30
▸ NDUFB5 O43674 2/20 0.30

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
SCHEMBL23395586 0.86 SLC10A1 (0.33) SLC10A1S1PR1S1PR3CYP1A2CYP2E1
SCHEMBL25896330 0.83 ALOX5 (0.33) SLC10A1S1PR1S1PR3NDUFS8COXFA4
SCHEMBL26291620 0.82 S1PR1 (0.39) SLC10A1S1PR1S1PR3CYP1A2CYP2E1
SCHEMBL25896632 0.82 APP (0.35) S1PR1S1PR3
SCHEMBL23395488 0.81 PTPN1 (0.40) S1PR1S1PR3MAOAMAOB
SCHEMBL25896396 0.81 S1PR1 (0.37) SLC10A1S1PR1S1PR3NDUFS8COXFA4
SCHEMBL23395486 0.81 S1PR1 (0.34) S1PR1S1PR3
SCHEMBL25896587 0.81 CYP1A2 (0.33) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL25895737 0.80 RAB9A (0.35) S1PR1S1PR3MAOA
SCHEMBL23395485 0.80 S1PR1 (0.34) S1PR1S1PR3

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-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 — — EP disclosed
Send feedback