SCHEMBL28472876

SCHEMBL28472876

O=[N+]([O-])c1ccc(C(Cl)CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ TSHR P16473 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MARS2 Q96GW9 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ RPLP1 P05386 1/20 0.50
▸ RPLP0 P05388 1/20 0.50
▸ RPS17 P08708 1/20 0.50
▸ RPSA P08865 1/20 0.50
▸ RPS2 P15880 1/20 0.50
▸ RPL35A P18077 1/20 0.50
▸ RPL7 P18124 1/20 0.50
▸ RPL17 P18621 1/20 0.50
▸ RPS4Y1 P22090 1/20 0.50
▸ RPS3 P23396 1/20 0.50
▸ RPS12 P25398 1/20 0.50
▸ RPL13 P26373 1/20 0.50
▸ RPL10 P27635 1/20 0.50

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
SCHEMBL5699063 0.85 ALDH1A1 (0.50) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL11161825 0.82 ALDH1A1 (0.50) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL11552497 0.81 ALDH1A1 (0.49) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL15617659 0.80 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL867120 0.80 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL1429700 0.79 TSHR (0.49) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL28436171 0.78 ALDH1A1 (0.70) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL27857585 0.78 ALDH1A1 (0.70) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL1023275 0.78 ALDH1A1 (0.70) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL11695662 0.78 ALDH1A1 (0.46) ALDH1A1TSHRLMNACYP3A4SMN1; 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
CN-111646904-A Method for synthesizing p-nitroanisole 浙江闰土研究院有限公司 2020-09-11 — — CN claimed
CN-111646904-A Method for synthesizing p-nitroanisole 浙江闰土研究院有限公司 2020-09-11 — — CN disclosed
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