SCHEMBL27713310

SCHEMBL27713310

CCC(=O)OCc1cc2cc(C(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.47
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ F2 P00734 1/20 0.41

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
SCHEMBL27713450 0.85 HRH3 (0.44) HRH3PDGFRBPDGFRARAB9AALDH1A1
SCHEMBL27733721 0.78 KDM4E (0.47) TSHRPDGFRBPDGFRARAB9AALDH1A1
SCHEMBL27713360 0.78 FLT3 (0.45) MEN1KMT2ACYP1A2CYP2C9HRH3
SCHEMBL3525164 0.78 CYP1A2 (0.46) ELANEMEN1KMT2ACYP1A2CYP2C9
SCHEMBL11764648 0.78 CTSV (0.47) MEN1KMT2ACYP1A2CYP2C9CYP3A4
SCHEMBL27713342 0.75 HRH4 (0.44) MEN1KMT2APDGFRBPDGFRARAB9A
SCHEMBL10102373 0.73 GRM1 (0.55) MEN1KMT2ACYP1A2CYP2C9CYP3A4
SCHEMBL27733691 0.72 ELANE (0.41) ELANEMEN1KMT2ACYP1A2CYP2C9
SCHEMBL24553587 0.72 TSHR (0.60) MEN1KMT2ACYP1A2CYP2C9CYP3A4
SCHEMBL27281372 0.71 RAB9A (0.56) MEN1KMT2ACYP1A2CYP2C9CYP3A4

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-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 — — CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 — — CN disclosed
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