SCHEMBL13369271

SCHEMBL13369271

CCCCCCC(CN)CCC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.52
OPRM1 P35372 1/20 0.44
DNM1 Q05193 8/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.43
SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL3627487 1.00 ALDH1A1 (0.58) ALDH1A1TDP1LMNAOPRM1DNM1
SCHEMBL17988744 1.00 ALDH1A1 (0.58) ALDH1A1TDP1LMNAOPRM1DNM1
SCHEMBL19308094 1.00 ALDH1A1 (0.58) ALDH1A1TDP1LMNAOPRM1DNM1
SCHEMBL9245414 1.00 ALDH1A1 (0.58) ALDH1A1TDP1LMNAOPRM1DNM1
SCHEMBL3626104 1.00 ALDH1A1 (0.58) ALDH1A1TDP1LMNAOPRM1DNM1
SCHEMBL10658454 1.00 ALDH1A1 (0.58) ALDH1A1TDP1LMNAOPRM1DNM1
SCHEMBL26983691 1.00 ALDH1A1 (0.58) ALDH1A1TDP1LMNAOPRM1DNM1
SCHEMBL276714 0.97 ALDH1A1 (0.61) ALDH1A1TDP1LMNAOPRM1DNM1
SCHEMBL24684882 0.95 ALDH1A1 (0.64) ALDH1A1TDP1LMNAOPRM1DNM1
SCHEMBL20495968 0.95 ALDH1A1 (0.64) ALDH1A1TDP1LMNAOPRM1DNM1

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
CN-116113696-A Gene editing to improve joint function 奥泽生物疗法公司 2023-05-12 CN disclosed
EP-3124551-A1 RHODAMINE-BASED COLORING COMPOSITION Wako Pure Chemical Industries, Ltd. (JP) 2017-02-01 EP disclosed
US-7723345-B2 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed