SCHEMBL9360513

SCHEMBL9360513

CCCCOC(=O)c1ccc(/C=C/C=C(\C#N)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NR1H2 P55055 1/20 0.49
▸ RNASEL Q05823 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ THRB P10828 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ RECQL P46063 1/20 0.44

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
SCHEMBL9360522 1.00 LMNA (0.49) LMNACYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL9360971 0.95 LMNA (0.47) LMNACYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL9360965 0.95 LMNA (0.47) LMNACYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL9364802 0.93 LMNA (0.48) LMNATSHRSMN1; SMN2ESR1KDM4E
SCHEMBL9364799 0.93 LMNA (0.48) LMNATSHRSMN1; SMN2ESR1KDM4E
SCHEMBL9364863 0.88 APP (0.46) LMNATSHRSMN1; SMN2ESR1KDM4E
SCHEMBL9364856 0.88 APP (0.46) LMNATSHRSMN1; SMN2ESR1KDM4E
SCHEMBL9360595 0.88 MAPT (0.49) LMNACYP1A2SMN1; SMN2ESR1KDM4E
SCHEMBL9360589 0.88 MAPT (0.49) LMNACYP1A2SMN1; SMN2ESR1KDM4E
SCHEMBL9360957 0.85 KDM4E (0.54) LMNACYP2C19CYP2D6KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335641-B1 Organic nonlinear optical substance TEIJIN LTD (JP) 1994-01-05 — — EP disclosed
US-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 — — US disclosed
EP-0335641-A2 Organic nonlinear optical substance TEIJIN LIMITED (JP) 1989-10-04 — — EP disclosed
Send feedback