SCHEMBL31404692

SCHEMBL31404692

CCCCCCCOc1ccc(/N=N/c2ccc(-c3ccc(C(=O)Oc4ccc5ccccc5c4-c4c(OC(=O)c5ccc(-c6ccc(/N=N/c7ccc(OCCCCCCC)cc7)cc6)cc5)ccc5c4ccc4ccccc45)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.46
▸ PRSS1 P07477 1/20 0.44
▸ ACR P10323 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NFKB1 P19838 3/20 0.43
▸ NFKB2 Q00653 3/20 0.43
▸ RELA Q04206 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL31404691 0.99 RARB (0.47) RARBPRSS1ACRNPC1LMNA
SCHEMBL31404682 0.96 RARB (0.49) RARBPRSS1ACRNPC1LMNA
SCHEMBL881060 0.91 RARB (0.55) RARBNPC1LMNANFKB1NFKB2
SCHEMBL881059 0.89 RARB (0.53) RARBNPC1LMNANFKB1NFKB2
SCHEMBL31404687 0.86 RARB (0.46) RARBPRSS1ACRSMN1; SMN2MAPT
SCHEMBL13452752 0.85 LMNA (0.58) PRSS1ACRNPC1LMNANFKB1
SCHEMBL31404689 0.84 RARB (0.44) RARBSMN1; SMN2MAPTCNR2
SCHEMBL31404685 0.83 KDM4E (0.41) RARBPRSS1ACR
SCHEMBL25821514 0.80 PLA2G2A (0.41) CYP2C9CNR1CNR2
SCHEMBL25821526 0.80 PLA2G2A (0.41) CYP2C9CNR1CNR2

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
US-20250043185-A1 Chiral Azobenzene Dopants with Increased Delta Helical Twisting Power NISSAN MOTOR CO., LTD. (JP) 2025-02-06 — — US disclosed
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