SCHEMBL9364863

SCHEMBL9364863

CCCOC(=O)c1ccc(C=CC=CC=C(C#N)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ POLB P06746 1/20 0.42
▸ MCL1 Q07820 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 5/20 0.39
▸ STS P08842 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ STAT1 P42224 1/20 0.38

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
SCHEMBL9364856 1.00 APP (0.46) APPLMNAALDH1A1TDP1ESR1
SCHEMBL9364799 0.95 LMNA (0.48) APPLMNAALDH1A1TDP1ESR1
SCHEMBL9364802 0.95 LMNA (0.48) APPLMNAALDH1A1TDP1ESR1
SCHEMBL9360971 0.93 LMNA (0.47) APPLMNAALDH1A1TDP1ESR1
SCHEMBL9360965 0.93 LMNA (0.47) APPLMNAALDH1A1TDP1ESR1
SCHEMBL9360803 0.91 APP (0.48) APPLMNAALDH1A1TDP1ESR1
SCHEMBL9360797 0.91 APP (0.48) APPLMNAALDH1A1TDP1ESR1
SCHEMBL9360522 0.88 LMNA (0.49) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL9360513 0.88 LMNA (0.49) LMNAALDH1A1TDP1ESR1TSHR
SCHEMBL9360595 0.85 MAPT (0.49) APPLMNAALDH1A1TDP1ESR1

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
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