SCHEMBL10422388

SCHEMBL10422388

Cc1cccc(C)c1Oc1cc(Oc2c(C)cccc2C)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HSPB1 P04792 1/20 0.45
▸ L3MBTL1 Q9Y468 5/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL28054673 0.85 TSHR (0.49) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL28061000 0.83 TSHR (0.44) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL10422278 0.83 HSD17B10 (0.53) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL2904566 0.81 MAPK1 (0.48) TDP1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10422347 0.80 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL30730905 0.78 TSHR (0.40) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL16335619 0.77 MAPT (0.50) TSHRSMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL3030569 0.77 ALDH1A1 (0.53) TSHRTDP1ALDH1A1HSPB1MEN1
SCHEMBL2902627 0.77 MERTK (0.58) TDP1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10422274 0.76 HSD17B10 (0.58) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1

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
US-H726-H HAIR DYES CLAIROL INCORPORATED (US) 1990-01-02 — — US disclosed
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