SCHEMBL21597977

SCHEMBL21597977

[CH2]c1cccc(C[C](C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ SLC7A5 Q01650 1/20 0.33
▸ CTBP2 P56545 1/20 0.33
▸ NOS1 P29475 6/20 0.32
▸ NOS2 P35228 4/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NOS3 P29474 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.30
▸ ENPP2 Q13822 1/20 0.30

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
SCHEMBL8152913 0.85 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3365644 0.77 AKR1B1 (0.58) POLBCYP1A2CYP2C19ALDH1A1NFKB1
SCHEMBL10549659 0.77 HTR3E (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27842022 0.76 PRKCI (0.47) CYP3A4
SCHEMBL7767320 0.76 ENPP2 (0.56) CTBP2CYP1A2ALDH1A1CYP3A4NFKB1
SCHEMBL6616564 0.76 TP53 (0.44) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL910501 0.76 CNR1 (0.42) —
SCHEMBL27619612 0.76 CTBP2 (0.53) CTBP2POLB
SCHEMBL3362670 0.75 SLC7A5 (0.55) SLC7A5ALDH1A1SMN1; SMN2NFKB1
SCHEMBL233742 0.75 — —

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
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 — — WO disclosed
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