SCHEMBL28210207

SCHEMBL28210207

NCC1(OC(=O)c2cccc(C(=O)O)c2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
KMO O15229 1/20 0.39
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
FOLH1 Q04609 1/20 0.36
AKR1C3 P42330 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL4581483 0.84 CTSK (0.44) CYP2D6CYP2C9HIF1AKDM4EFOLH1
Isophthalic Acid SCHEMBL9250674 0.79 ALDH1A1 (0.49) CYP2D6CYP2C9HIF1AKMOKMT2A
SCHEMBL4581480 0.79 CTSK (0.46) CYP2D6CYP2C9HIF1AKMT2AMEN1
SCHEMBL28146980 0.77 KDM4E (0.41) CYP2C9KMOPOLBKMT2AKDM4E
SCHEMBL4580643 0.76 AKR1C3 (0.41) CYP2D6CYP2C9HIF1AKMOPOLB
SCHEMBL3984664 0.74 TDP1 (0.41) CYP2D6CYP2C9HIF1AKMOPOLB
SCHEMBL8734973 0.74 RAB9A (0.40) CYP2D6CYP2C9HIF1AKMOPOLB
SCHEMBL27255755 0.72 NPC1 (0.49) POLBKMT2AMEN1HPGDLMNA
SCHEMBL28398633 0.72 LMNA (0.37) ALDH1A1GAAHPGDLOXL2LMNA
SCHEMBL9618428 0.72 LMNA (0.45) CYP2D6CYP2C9HIF1APOLBKMT2A

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-107921292-A Method for strengthening hair fibers and protecting dyed hair from fading and washing off 赫尔克里士有限公司 2018-04-17 CN disclosed