SCHEMBL30640558

SCHEMBL30640558

O=C(O)c1ccccc1CN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.57
ALDH1A1 P00352 7/20 0.55
CYP2C9 P11712 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
DHODH Q02127 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL230275 1.00 CYP2A13 (0.57) CYP2A13ALDH1A1CYP2C9CYP3A4CYP2D6
SCHEMBL7526646 0.89 CYP2A13 (0.58) CYP2A13ALDH1A1CYP2C9CYP3A4CYP2D6
SCHEMBL11152322 0.86 GAA (0.58) CYP2A13ALDH1A1CYP2C9CYP3A4CYP2D6
SCHEMBL10533979 0.86 CYP2A13 (0.59) CYP2A13ALDH1A1CYP2C9CYP3A4CYP2D6
SCHEMBL4848385 0.86 CYP2A13 (0.59) CYP2A13ALDH1A1CYP2C9CYP3A4CYP2D6
SCHEMBL2228234 0.86 KDM4E (0.58) CYP2A13ALDH1A1CYP2C9CYP3A4CYP2D6
SCHEMBL7778460 0.85 CYP2A13 (0.49) CYP2A13ALDH1A1CYP2C9CYP3A4CYP2D6
SCHEMBL7433040 0.85 ALDH1A1 (0.67) ALDH1A1CYP2C9CYP2D6ALOX15HTT
SCHEMBL6043506 0.84 ALDH1A1 (0.55) ALDH1A1CYP2C19TSHRPOLBKMT2A
SCHEMBL11361974 0.83 ALDH1A1 (0.65) ALDH1A1CYP2C9CYP2D6HTTPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4526291-A1 INDUCERS OF INTEGRATED STRESS RESPONSE TO TREAT CANCER The Board of Regents of the University of Texas System (US) 2025-03-26 EP disclosed
CN-111936471-B Non-fused thiophene derivatives and uses thereof 埃尼奥制药公司 2024-10-29 CN disclosed
CN-118360608-B Copper-reducing additive for IC carrier plate and preparation method and use method thereof 深圳市板明科技股份有限公司 2024-08-13 CN disclosed
CN-118360608-A Copper-reducing additive for IC carrier plate and preparation method and use method thereof 深圳市板明科技股份有限公司 2024-07-19 CN disclosed