SCHEMBL9364799

SCHEMBL9364799

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MCL1 Q07820 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ STS P08842 1/20 0.40
▸ APP P05067 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAOB P27338 1/20 0.39

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
SCHEMBL9364802 1.00 LMNA (0.48) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL9364856 0.95 APP (0.46) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL9364863 0.95 APP (0.46) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL9360522 0.93 LMNA (0.49) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL9360513 0.93 LMNA (0.49) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL9360595 0.90 MAPT (0.49) LMNAALDH1A1ESR1TDP1MCL1
SCHEMBL9360589 0.90 MAPT (0.49) LMNAALDH1A1ESR1TDP1MCL1
SCHEMBL9360965 0.89 LMNA (0.47) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL9360971 0.89 LMNA (0.47) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL9360803 0.85 APP (0.48) LMNAALDH1A1ESR1TDP1POLB

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 2 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
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