SCHEMBL28858296

SCHEMBL28858296

CCCCC(CC)CCC1CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CA2 P00918 5/20 0.36
CA1 P00915 3/20 0.34
CA4 P22748 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA6 P23280 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5563286 0.89 NPC1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4665494 0.86 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28761384 0.80 NPC1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL42517 0.80 NPC1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL31619431 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL536549 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
Ammonia Solution, Strong SCHEMBL28732829 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
Water SCHEMBL5188227 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1404142 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL27880511 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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
CN-107922543-A Copolymer, its manufacture method, electric wire coatings resin material and electric wire 旭硝子株式会社 2018-04-17 CN disclosed