SCHEMBL9807400

SCHEMBL9807400

CCC(C)(C)c1cc(-c2ccc([N+](=O)[O-])cc2)cc(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL9807385 0.82 ALDH1A1 (0.53) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4859122 0.78 MEN1 (0.69) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL13840640 0.77 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9807405 0.76 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1GPR35
SCHEMBL28104443 0.71 HTT (0.54) CYP1A2CYP2C9HTTSMN1; SMN2L3MBTL1
SCHEMBL16701937 0.71 HSD17B1 (0.51) SMN1; SMN2ALDH1A1GPR35TDP1TSHR
SCHEMBL12644251 0.71 MAOB (0.59) CYP1A2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6723884 0.70 LMNA (0.66) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13840638 0.70 CA2 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL10934571 0.69 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994545-A Polyetherimide ETHYL CORPORATION (US) 1991-02-19 — — US disclosed
US-4990627-A Polyetherimides and their production ETHYL CORPORATION (US) 1991-02-05 — — US disclosed
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