SCHEMBL16610646

SCHEMBL16610646

C=C(C)C(=O)c1cnccc1CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2E1 P05181 4/20 0.39
▸ CYP2C8 P10632 4/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ CYP2A6 P11509 4/20 0.39
▸ CYP2B6 P20813 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDM4C Q9H3R0 5/20 0.37
▸ KDM6B O15054 2/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ KDR P35968 1/20 0.36
▸ PRKCI P41743 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ AOC1 P19801 1/20 0.33

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
SCHEMBL4734614 0.83 CYP2E1 (0.43) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL9517606 0.83 CYP2E1 (0.43) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL258369 0.80 KDM4C (0.51) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL5739434 0.79 KDM4C (0.50) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL6627674 0.76 PTGDR2 (0.42) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL18599002 0.74 KDM6B (0.43) PTGDR2KDM4CKDM6BSIRT3TDP1
SCHEMBL6627688 0.72 CYP2A6 (0.45) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL4005290 0.71 GABRP (0.55) PTGDR2THRBKDM4CKDM6BTDP1
SCHEMBL3818724 0.71 TDP1 (0.44) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL30100778 0.70 KDM4C (0.55) THRBKDM4CKDM6BTDP1MAPT

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
EP-2857180-B1 Multi-color ink for 3D printing, 3D printer, and method of controlling the 3D printer SAMSUNG ELECTRONICS CO LTD (KR) 2018-07-18 — — EP disclosed
EP-2857180-A2 Multi-color ink for 3D printing, 3D printer, and method of controlling the 3D printer Samsung Electronics Co., Ltd. (KR) 2015-04-08 — — EP disclosed
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